About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
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Computational Thermodynamics and Kinetics
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Presentation Title |
Barrier-free Predictions of Short-range Ordering and Clustering Kinetics in Concentrated Solid Solutions |
Author(s) |
Anas Abu-Odeh, Blas P Uberuaga, Mark D. Asta |
On-Site Speaker (Planned) |
Mark D. Asta |
Abstract Scope |
We present comparisons of kinetic Monte Carlo (kMC) simulations of isothermal short-range ordering (SRO) and clustering (SRC) kinetics in binary concentrated alloys with a mean-field concentration-wave (CW) model. The CW model is able to give order-of-magnitude agreement with kMC simulations for ordering/clustering relaxation times over a wide range of temperatures and compositions. Interest in the CW model stems from the fact that it does not require parameterization of vacancy hopping energy barriers, which, for a concentrated alloy, becomes costly computationally. It can also be extended readily to multicomponent systems. We assess limits in the accuracy of the model, and discuss the effect of cooling rates as well as the extension to multicomponent systems. Ultimately, the simplicity and performance of the CW model compared to kMC simulations suggests that it is a useful tool to for designing thermal treatments to control formation of SRO/SRC. Research supported by the DOE-BES FUTURE EFRC. |
Proceedings Inclusion? |
Planned: |